N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine

C19H21N5 — CID 58884472

IUPACN-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
SMILESCc1cccc2[nH]c(CN(C)Cc3nc4c(C)cccc4[nH]3)nc12
InChIInChI=1S/C19H21N5/c1-12-6-4-8-14-18(12)22-16(20-14)10-24(3)11-17-21-15-9-5-7-13(2)19(15)23-17/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKRRYWGRSBALMJG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.69
Rot. Bonds4

About N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine

N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine (PubChem CID 58884472) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
PubChem CID58884472
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
SMILESCc1cccc2[nH]c(CN(C)Cc3nc4c(C)cccc4[nH]3)nc12
InChIInChI=1S/C19H21N5/c1-12-6-4-8-14-18(12)22-16(20-14)10-24(3)11-17-21-15-9-5-7-13(2)19(15)23-17/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKRRYWGRSBALMJG-UHFFFAOYSA-N
XLogP3.69
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine (CID 58884472) is N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine is Cc1cccc2[nH]c(CN(C)Cc3nc4c(C)cccc4[nH]3)nc12.
What is the InChIKey of N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine?
The InChIKey is KRRYWGRSBALMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12-6-4-8-14-18(12)22-16(20-14)10-24(3)11-17-21-15-9-5-7-13(2)19(15)23-17/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine?
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine has a molecular weight of 319.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 58884472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).